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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224361

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1224361
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 3
  • Element list: ['K', 'Mo', 'S']
  • Chemical System: K-Mo-S
  • Density: 4.3787416670680965
  • Atomic Density: 0.04206198993165666
  • Unit Cell Volume: 903.4284888029149
  • Molar Volume: 14.317298753066416
  • Full Formula: K2 Mo18 S18
  • Reduced Formula: K(MoS)9
  • Formula Anonymous: AB9C9
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -305.18409815
  • Final energy per atom: -8.031160477631579
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.